N-cyclopent-3-en-1-yl-3-(2-methylpropyl)cyclohexan-1-amine

C15H27N — CID 107428777

IUPACN-cyclopent-3-en-1-yl-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NC2CC=CC2)C1
InChIInChI=1S/C15H27N/c1-12(2)10-13-6-5-9-15(11-13)16-14-7-3-4-8-14/h3-4,12-16H,5-11H2,1-2H3
InChIKeyFXWQHPICPNDELP-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.90
Rot. Bonds4

About N-cyclopent-3-en-1-yl-3-(2-methylpropyl)cyclohexan-1-amine

N-cyclopent-3-en-1-yl-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107428777) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107428777
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-cyclopent-3-en-1-yl-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NC2CC=CC2)C1
InChIInChI=1S/C15H27N/c1-12(2)10-13-6-5-9-15(11-13)16-14-7-3-4-8-14/h3-4,12-16H,5-11H2,1-2H3
InChIKeyFXWQHPICPNDELP-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethylamine, N-allyl-2-(2-cyclopentenyl)-1-methyl-
CID 49661
Ethylamine, 2-(2-cyclopentenyl)-N,1-dimethyl-
CID 49662
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propylbutan-1-amine
CID 24850676
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
(Bicyclo(2.2.1)hept-5-en-2-ylmethyl)(propan-2-yl)amine
CID 43225117
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
CID 172469915
(2R)-2-[(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methyl]-4-methylpyrrolidine
CID 70867666
(3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine
CID 71165840
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-diethylpyrrolidine
CID 123310293
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine
CID 123882757
1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine
CID 129045764

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of N-cyclopent-3-en-1-yl-3-(2-methylpropyl)cyclohexan-1-amine (CID 107428777) is N-cyclopent-3-en-1-yl-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for N-cyclopent-3-en-1-yl-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for N-cyclopent-3-en-1-yl-3-(2-methylpropyl)cyclohexan-1-amine is CC(C)CC1CCCC(NC2CC=CC2)C1.
What is the InChIKey of N-cyclopent-3-en-1-yl-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is FXWQHPICPNDELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-12(2)10-13-6-5-9-15(11-13)16-14-7-3-4-8-14/h3-4,12-16H,5-11H2,1-2H3.
What are the key properties of N-cyclopent-3-en-1-yl-3-(2-methylpropyl)cyclohexan-1-amine?
N-cyclopent-3-en-1-yl-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107428777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).